(4S)-2-(3-chlorophenyl)-5-methyl-4-(morpholin-4-ium-4-ylmethyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(3-chlorophenyl)-5-methyl-4-(morpholin-4-ium-4-ylmethyl)-4H-pyrazol-3-one Openeye Name: (4S)-2-(3-chlorophenyl)-5-methyl-4-(morpholin-4-ium-4-ylmethyl)-4H-pyrazol-3-one CAS Name: (4S)-2-(3-chlorophenyl)-5-methyl-4-(4-morpholin-4-iumylmethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-2-(3-chlorophenyl)-5-methyl-4-(morpholin-4-ium-4-ylmethyl)-4H-pyrazol-3-one Traditional Name: (4S)-2-(3-chlorophenyl)-5-methyl-4-(morpholin-4-ium-4-ylmethyl)-2-pyrazolin-3-one Formula: C15H19ClN3O2+ MolecularWeight: 308.78326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C[NH+]2CCOCC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C[NH+]2CCOCC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H18ClN3O2/c1-11-14(10-18-5-7-21-8-6-18)15(20)19(17-11)13-4-2-3-12(16)9-13/h2-4,9,14H,5-8,10H2,1H3/p+1/t14-/m0/s1